Basic information
- Standard SMILES
CN1CCN(CCCc2cc(Cl)c3c(c2)CN(Cc2ccc(Oc4ccccc4)cc2)C3=O)CC1- InChIKey
YFZRKYYOJKBKSS-UHFFFAOYSA-N- Molecular formula
- C29H32ClN3O2
- Average molar mass
- 490 g/mol
Names & identifiers
- Preferred name
- 7-Chloro-5-[3-(4-methyl-piperazin-1-yl)-propyl]-2-(4-phenoxy-benzyl)-2,3-dihydro-isoindol-1-one
- IUPAC
- 7-chloro-5-[3-(4-methylpiperazin-1-yl)propyl]-2-[(4-phenoxyphenyl)methyl]-3H-isoindol-1-one
Names & synonyms
SCHEMBL2019146YFZRKYYOJKBKSS-UHFFFAOYSA-N7-chloro-5-[3-(4-methyl-piperazin-1-yl)-propyl]-2-(4-phenoxy-benzyl)-2,3-dihydro-isoindol-1-one
Database identifiers
- PubChem CID
- 11670367
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 36 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 671
Related reactions
2 records
Compound notes
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